Glycoside
GD145306
Name:
9,10-dihydroxy-4,6,12,17,17-pentamethyl-8-oxo-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-3-yl acetateFormula:
C34H52O10Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3(O)C(O)C(=O)CC(C)C3C12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3(O)C(O)C(=O)CC(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 620.78 | Num_heavy_atoms: | 44 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD58339
Formula: C29H44O6
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3(O)C(O)C(=O)CC(C)C3C12C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.67 | Num_heavy_atoms: | 35 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
